SCHEMBL16627291

SCHEMBL16627291

N#Cc1ccc(N2CCN(C3CC3)CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.61
DPP4 P27487 1/20 0.53
DPP8 Q6V1X1 1/20 0.53
DPP9 Q86TI2 1/20 0.53
GPR119 Q8TDV5 1/20 0.51
PANK3 Q9H999 7/20 0.51
SMO Q99835 3/20 0.47
CXCR3 P49682 1/20 0.47
PARP1 P09874 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP2 Q9UGN5 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2825721 0.94 HRH3 (0.55) HRH3DPP4DPP8DPP9GPR119
SCHEMBL19748857 0.93 HRH3 (0.54) HRH3DPP4DPP8DPP9GPR119
SCHEMBL14349592 0.85 EGLN2 (0.53) HRH3DPP4DPP8DPP9GPR119
SCHEMBL3452836 0.84 DPP4 (0.53) HRH3DPP4DPP8DPP9GPR119
SCHEMBL5089958 0.83 DPP4 (0.52) HRH3DPP4DPP8DPP9GPR119
SCHEMBL5210864 0.82 HRH3 (0.51) HRH3DPP4DPP8DPP9GPR119
Hydrochloric Acid SCHEMBL5216240 0.81 HRH3 (0.50) HRH3DPP4DPP8DPP9GPR119
SCHEMBL13683677 0.80 IRAK4 (0.54) HRH3DPP4DPP8DPP9PANK3
SCHEMBL3857428 0.80 IRAK4 (0.54) HRH3DPP4DPP8DPP9PANK3
SCHEMBL3048925 0.80 KDM4E (0.54) GPR119PANK3SMOKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 HRH3 3405/4885DPP4 2653/4885DPP8 2864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.